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canSAR176822
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NAMES
    SMILES
    O=C(CN1CCCCC1)Nc1ccc(-c2ccc(OCC(O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cn1
    InChI
    InChI=1S/C29H30F2N6O3/c30-23-7-10-25(26(31)14-23)29(39,17-37-20-32-19-34-37)18-40-24-8-4-21(5-9-24)22-6-11-27(33-15-22)35-28(38)16-36-12-2-1-3-13-36/h4-11,14-15,19-20,39H,1-3,12-13,16-18H2,(H,33,35,38)
    MOLECULAR FORMULA
    C29H30F2N6O3
    CROSS REFERENCES
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    canSAR176822

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 548.23
    AlogP 4.01
    HBond donors 2
    HBond acceptors 9
    Atoms 70
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR176822.